| SpectraBase Compound ID | B6ghRkRDmJt |
|---|---|
| InChI | InChI=1S/C48H66O9/c1-12-13-14-25-42(52)55-32-37(26-27-41-44(6,7)28-38(56-36(5)49)29-46(41,10)54)24-18-22-34(3)20-16-15-19-33(2)21-17-23-35(4)39(50)31-48-45(8,9)30-40(51)43(53)47(48,11)57-48/h15-24,26,38,40,51,54H,12-14,25,28-32H2,1-11H3/b16-15+,21-17+,22-18+,33-19+,34-20+,35-23+,37-24-/t27?,38-,40-,46-,47+,48-/m0/s1 |
| InChIKey | CCCUFCSOIJLRHH-MPXBCVIUSA-N |
| Mol Weight | 787.0 g/mol |
| Molecular Formula | C48H66O9 |
| Exact Mass | 786.470684 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2SetCMaZWGu |
|---|---|
| Name | 4-Keto-19'-hexanoyloxyfucoxanthin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H66O9 |
| InChI | InChI=1S/C48H66O9/c1-12-13-14-25-42(52)55-32-37(26-27-41-44(6,7)28-38(56-36(5)49)29-46(41,10)54)24-18-22-34(3)20-16-15-19-33(2)21-17-23-35(4)39(50)31-48-45(8,9)30-40(51)43(53)47(48,11)57-48/h15-24,26,38,40,51,54H,12-14,25,28-32H2,1-11H3/b16-15+,21-17+,22-18+,33-19+,34-20+,35-23+,37-24-/t27?,38-,40-,46-,47+,48-/m0/s1 |
| InChIKey | CCCUFCSOIJLRHH-MPXBCVIUSA-N |
| Molecular Weight | 787.047 g/mol |
| SMILES | O[C@@]1(C([C@@]2([C@](CC(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C=C=C3[C@](C[C@](CC3(C)C)(OC(=O)C)[H])(O)C)COC(=O)CCCCC)C)C)C)=O)(C(C1)(C)C)O2)C)=O)[H] |
| SPLASH | splash10-004l-0900000000-d3bcf082707246fdb45c |
| Source of Spectrum | KC-0-1229-5 |
| Wiley ID | 830377 |